tert-butyl N-cyclohex-2-en-1-ylcarbamate

C11H19NO2 — CID 10012946

IUPACtert-butyl N-cyclohex-2-en-1-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1C=CCCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyIGUWAWPWEGILKR-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.62
Rot. Bonds1

About tert-butyl N-cyclohex-2-en-1-ylcarbamate

tert-butyl N-cyclohex-2-en-1-ylcarbamate (PubChem CID 10012946) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl N-cyclohex-2-en-1-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohex-2-en-1-ylcarbamate
PubChem CID10012946
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl N-cyclohex-2-en-1-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1C=CCCC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyIGUWAWPWEGILKR-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 2756765
N-1-Boc-Amino-3-cyclopentene
CID 2756764
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tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate
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tert-Butyl (4-fluorocyclohex-3-en-1-yl)carbamate
CID 45092205
tert-butyl N-[6-(tert-butoxycarbonylamino)cyclohex-3-en-1-yl]carbamate
CID 384583
tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate
CID 14395680
Tert-butyl non-8-en-1-ylcarbamate
CID 5282584
tert-butyl N-(2-cyclopent-2-en-1-ylethyl)carbamate
CID 12181711
tert-butyl N-(5-methylhex-1-en-3-yl)carbamate
CID 13985400
(S)-tert-Butyl (4-oxocyclohex-2-en-1-yl)carbamate
CID 15382803
Carbamic acid, 5-hexenyl-, 1,1-dimethylethyl ester (9CI)
CID 42636780

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohex-2-en-1-ylcarbamate?
The IUPAC name of tert-butyl N-cyclohex-2-en-1-ylcarbamate (CID 10012946) is tert-butyl N-cyclohex-2-en-1-ylcarbamate.
What is the SMILES notation for tert-butyl N-cyclohex-2-en-1-ylcarbamate?
The canonical SMILES for tert-butyl N-cyclohex-2-en-1-ylcarbamate is CC(C)(C)OC(=O)NC1C=CCCC1.
What is the InChIKey of tert-butyl N-cyclohex-2-en-1-ylcarbamate?
The InChIKey is IGUWAWPWEGILKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-cyclohex-2-en-1-ylcarbamate?
tert-butyl N-cyclohex-2-en-1-ylcarbamate has a molecular weight of 197.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohex-2-en-1-ylcarbamate is sourced from PubChem (CID 10012946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).